3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride

C8H13ClN2O — CID 43810451

IUPAC3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(C)c(CN)c(=O)[nH]1.Cl
InChIInChI=1S/C8H12N2O.ClH/c1-5-3-6(2)10-8(11)7(5)4-9;/h3H,4,9H2,1-2H3,(H,10,11);1H
InChIKeyZMDPNGUJHPRAMG-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.87
Rot. Bonds1

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride (PubChem CID 43810451) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride
PubChem CID43810451
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(C)c(CN)c(=O)[nH]1.Cl
InChIInChI=1S/C8H12N2O.ClH/c1-5-3-6(2)10-8(11)7(5)4-9;/h3H,4,9H2,1-2H3,(H,10,11);1H
InChIKeyZMDPNGUJHPRAMG-UHFFFAOYSA-N
XLogP0.87
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride (CID 43810451) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride is Cc1cc(C)c(CN)c(=O)[nH]1.Cl.
What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is ZMDPNGUJHPRAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c1-5-3-6(2)10-8(11)7(5)4-9;/h3H,4,9H2,1-2H3,(H,10,11);1H.
What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride?
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 43810451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).